Molecular Properties | |
SMILES: | O=C(CF)N1CCN(Cc2ccc(Br)s2)CC1 |
MW: | 321.215 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.1243 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
monofluoroacetate
Filter9_metal
aryl bromide
AAR-POS-0daf6b7e-12
0.725
JOH-UNI-27ac80fd-23
0.725
JOH-UNI-27ac80fd-27
0.509
AAR-POS-0daf6b7e-2
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JOH-UNI-27ac80fd-29
0.433
JOH-UNI-27ac80fd-28
0.391
SAD-SAT-b55127ae-10
0.391
AAR-POS-0daf6b7e-17
0.381
LON-WEI-8f408cad-5
0.381
JOH-UNI-27ac80fd-38
0.361
SAL-INS-1c7a5a55-11
0.346
SAL-INS-1c7a5a55-12
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MAK-UNK-6435e6c2-2
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MAK-UNK-7c9d1431-28
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MAK-UNK-3f402c2b-21
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MAK-UNK-c74072e5-2
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MAR-LAB-ca4662a6-2
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JOH-UNI-27ac80fd-2
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MAK-UNK-c74072e5-10
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MAK-UNK-212f693e-7
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JOH-UNI-27ac80fd-25
0.328
MED-COV-4280ac29-25
0.325
SAD-SAT-5b1897b2-2
0.324
LON-WEI-8f408cad-7
0.323
AAR-POS-0daf6b7e-13
0.323
MAK-UNK-212f693e-8
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DRR-IMP-38dce17f-3
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MAK-UNK-7c9d1431-24
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JOH-UNI-27ac80fd-30
0.319
MAK-UNK-c74072e5-1
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MAK-UNK-10dfa458-2
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MAK-UNK-7c9d1431-29
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AHN-SAT-de2502ba-15
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MAK-UNK-10dfa458-21
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DRR-IMP-38dce17f-6
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MAK-UNK-e4a48a85-21
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JOH-UNI-27ac80fd-33
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NIM-UNI-05f93fcc-1
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JIA-UNI-93b03cae-1
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ANT-OPE-d972fbad-1
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JOH-UNI-27ac80fd-39
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JON-UIO-066ce08b-11
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DAV-CRI-d1e0885a-1
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SAD-SAT-5b1897b2-5
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JOH-UNI-27ac80fd-32
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DRR-IMP-38dce17f-2
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DAN-MCD-50ec7d1f-1
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DRR-IMP-38dce17f-1
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MAK-UNK-6ca90168-14
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DRR-IMP-38dce17f-7
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DRR-IMP-38dce17f-5
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SAD-SAT-bc31ec01-1
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BEN-VAN-d8fd1356-22
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AHN-SAT-02ef6d10-6
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HYO-UNK-49a60884-1
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DRR-IMP-38dce17f-4
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AAR-POS-d2a4d1df-35
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MED-COV-4280ac29-15
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JOH-UNI-0e1753c1-3
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MIH-UNI-e573136b-5
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PAU-UNI-8cdd41c7-1
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TAM-UNI-d1c3dd9f-17
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MED-COV-4280ac29-8
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SAD-SAT-9a6c5cf3-3
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MAK-UNK-7c9d1431-20
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SAD-SAT-581007d4-7
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SAD-SAT-581007d4-1
0.290
AAR-POS-d2a4d1df-24
0.290
MAT-POS-2db6411e-2
0.290
PAU-UNI-b2b6b158-1
0.289
MAR-TRE-6a44bbf2-54
0.288
MAK-UNK-7c9d1431-16
0.288
MAK-UNK-7c9d1431-14
0.288
STE-KUL-2e0d2e88-7
0.286
ASH-SAT-43770c7d-5
0.286
NEH-REV-107bcf72-5
0.286
BEN-VAN-d8fd1356-23
0.284
MAK-UNK-e4a48a85-20
0.284
KEN-MCD-6084b33e-1
0.284
JOH-UNI-27ac80fd-31
0.284
MAK-UNK-6435e6c2-3
0.281
SAD-SAT-bc31ec01-7
0.280
VIK-SYN-bf9c9ac8-3
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MAK-UNK-7c9d1431-21
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JOH-UNI-27ac80fd-34
0.278
MAK-UNK-212f693e-6
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NAU-LAT-64f4b287-3
0.275
JON-UIO-066ce08b-10
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JOK-SYG-18591e8f-1
0.274
MAR-TRE-6a44bbf2-47
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VIT-UNK-2a0afa28-3
0.273
MAK-UNK-7c9d1431-18
0.273
JOH-UNI-27ac80fd-26
0.273
WIL-LEE-23e8b574-4
0.271
SAD-SAT-581007d4-2
0.271
MAT-POS-ee51dedd-1
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DAR-DIA-fb20be43-2
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JOH-UNI-27ac80fd-35
0.269
WAR-XCH-b6889685-44
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JOK-SYG-302da050-2
0.267